General Characteristics
| NatID | 1090 |
| Common Name | NatID_1090 |
| Molecular Formula | C15H22 |
| Chemical Class | Polycyclic hydrocarbons |
| Molecular Weight | 202.172 g/mol |
| Other names | 227606-69-1 |
Representations
| Smiles | C[C@@H]1CC=C2C1=CC(C)(C)C[C@H]1C[C@@]21C |
| Inchi | InChI=1S/C15H22/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h6,9-11H,5,7-8H2,1-4H3/t10-,11+,15-/m1/s1 |
| Inchi Key | RPHSOXQGRPSDCV-JRPNMDOOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.34 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9238 | Lippia integrifolia | No | Unknown | del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736 Fricke, C., Hardt, I. H., König, W. A., Joulain, D., Zygadlo, J. A., & Guzmàn, C. A. (1999). Sesquiterpenes from Lippia integrifolia Essential Oil. Journal of Natural Products, 62(5), 694–696. https://doi.org/10.1021/np980424v |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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